6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one

C22H24N4O — CID 44540074

IUPAC6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1
InChIKeyDPBOMZYEIMRMQH-QGZVFWFLSA-N
MW360.46 g/mol
LogP3.32
Rot. Bonds5

About 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one

6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one (PubChem CID 44540074) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one
PubChem CID44540074
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1
InChIKeyDPBOMZYEIMRMQH-QGZVFWFLSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one (CID 44540074) is 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccccn3)n2)cc1.
What is the InChIKey of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one?
The InChIKey is DPBOMZYEIMRMQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-5-4-15-25(17)16-13-18-7-9-19(10-8-18)20-11-12-22(27)26(24-20)21-6-2-3-14-23-21/h2-3,6-12,14,17H,4-5,13,15-16H2,1H3/t17-/m1/s1.
What are the key properties of 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one?
6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 360.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 44540074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).